NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4757 8.3344 116.8049 58.3445 64.8041 173.0668 8 D 4.8684 7.9837 120.1195 51.6128 43.1204 173.8429 9 F 5.5322 8.8644 117.4903 55.3104 42.1057 173.5155 10 V 4.6585 9.2858 112.3722 59.6104 35.3948 174.8533 11 V 4.7850 8.5447 124.0699 61.5026 33.5951 174.5117 12 I 4.9727 9.0089 128.7225 59.4501 40.5804 174.1180 13 K 5.0500 9.3950 129.2002 54.4259 34.4240 174.9077 14 A 4.5602 8.8227 130.1737 52.0348 19.1057 177.5711 15 L 4.6272 9.1611 122.8602 55.0608 42.7102 175.8324 16 E 4.8109 7.8086 115.5417 54.4803 33.1685 174.7327 17 D 4.5851 8.7205 119.3923 55.0724 41.4995 176.0911 18 G 3.8555 8.4158 106.9922 46.7505 0.0000 174.4182 19 V 3.9861 7.8021 119.1849 62.3174 33.2963 174.1448 20 N 5.1927 9.4507 125.6945 51.8981 41.1401 173.2226 21 V 4.5962 8.7973 127.6145 61.6164 33.1169 174.0094 22 I 4.7910 8.8844 130.4622 59.6070 39.1131 175.1971 23 G 4.2579 9.6060 116.2115 44.9926 0.0000 172.5273 24 L 4.8576 8.8989 125.5427 53.1064 43.7799 175.4764 *33 H 4.5864 8.6333 119.4703 55.5790 28.4844 171.6617 34 H 4.6580 8.5637 127.1784 55.5637 30.4082 173.7114 35 S 4.7921 8.4378 120.7369 57.1788 64.4592 173.2993 36 E 4.4527 8.3054 124.9492 54.9330 32.4509 174.2519 37 K 4.7433 8.6786 127.0944 56.1399 33.4363 176.5680 38 L 4.9760 8.9615 123.5169 53.1470 45.4136 175.4407 39 D 5.1677 10.0744 123.6579 51.9109 43.8612 175.8445 40 K 3.9973 8.7446 122.3590 58.9950 32.1883 177.0883 41 G 4.0080 9.3494 115.8193 44.9865 0.0000 173.1573 42 E 4.3213 8.3347 119.9846 56.1402 30.9740 175.9206 43 V 4.9297 8.2466 121.4457 61.0562 34.4882 174.1757 44 L 4.6985 9.1228 129.9008 53.3241 44.6462 174.9604 45 I 4.9203 8.4540 126.5632 59.8306 38.7101 174.3890 46 A 4.6845 9.1006 130.2896 50.0996 21.0859 175.1904 47 Q 5.0805 8.4747 123.0451 54.2071 31.7327 174.8269 48 F 4.4932 8.7796 124.1170 57.5245 39.6771 175.8369 49 T 4.5832 8.4534 114.4822 59.7193 71.1706 174.3421 50 E 4.1495 8.7766 118.6823 59.8489 29.7721 177.8038 51 H 4.0517 8.4698 115.5528 57.9093 28.8043 174.8492 52 T 4.7431 7.5054 115.3508 61.7538 69.0347 174.1179 53 S 4.3430 8.8719 122.2762 60.3821 63.7591 174.6117 54 A 5.1535 7.8423 121.0220 49.7228 22.8888 174.7103 55 I 4.9604 8.4975 119.2822 59.4188 40.5165 174.8071 56 K 4.5974 9.2741 128.7804 54.5620 34.6732 174.8587 57 V 4.8111 8.3993 126.3621 61.1744 33.8152 174.2527 58 R 4.4769 9.1870 129.1219 54.8014 32.1779 174.6203 59 G 4.1208 8.9467 113.7138 43.7094 0.0000 173.4191 60 K 4.7053 8.9907 123.4825 54.5983 32.3937 174.4973 61 A 5.1267 9.0455 126.7704 49.6765 23.5978 173.6569 62 Y 4.9993 9.2814 120.9368 55.9695 41.1595 174.5893 63 I 4.9261 8.3871 127.2407 59.5140 40.9535 174.2893 64 Q 4.9306 9.1979 126.0077 54.2800 31.5228 174.8947 65 T 4.7127 8.6570 113.1214 59.2889 72.4127 174.6143 66 R 3.6765 8.5625 121.0430 59.5910 29.8156 176.3519 67 H 4.7031 7.5413 112.4618 55.5696 28.8793 173.8993 68 G 3.6988 7.9417 106.7905 44.2508 0.0000 173.5106 69 V 4.5580 7.8106 111.2415 60.5783 33.4855 175.6146 70 I 4.4518 8.1883 120.9178 60.0534 41.8817 172.5658 71 E 5.2187 8.7638 128.4391 54.4128 31.7595 174.9612 72 S 4.6160 9.0646 122.3746 57.4296 65.2108 173.0816 73 E 4.8493 8.7877 123.8472 54.2470 30.2351 176.3064 74 G 3.7207 8.4322 112.2801 45.6181 0.0000 171.6494 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 S 8.33 4.48 0.00 3.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.98 4.87 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.86 5.53 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.29 4.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 11 V 8.54 4.78 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.16 0.00 0.00 12 I 9.01 4.97 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.92 0.00 0.00 13 K 9.40 5.05 0.00 1.89 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.82 4.56 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.16 4.63 0.00 1.58 1.73 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.81 4.81 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 17 D 8.72 4.59 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.80 3.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 20 N 9.45 5.19 0.00 2.79 2.62 0.00 0.00 6.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.80 4.60 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 22 I 8.88 4.79 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.93 0.00 0.00 23 G 9.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.90 4.86 0.00 1.85 1.65 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *33 H 8.63 4.59 0.00 3.27 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.56 4.66 0.00 3.21 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.44 4.79 0.00 3.91 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.31 4.45 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 37 K 8.68 4.74 0.00 1.93 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.44 1.04 7.81 38 L 8.96 4.98 0.00 1.53 1.51 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.07 5.17 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.74 4.00 0.00 1.77 1.77 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 41 G 9.35 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.33 4.32 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 43 V 8.25 4.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.12 4.70 0.00 1.73 1.47 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.92 1.73 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.62 0.00 0.00 46 A 9.10 4.68 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.47 5.08 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 48 F 8.78 4.49 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.45 4.58 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 E 8.78 4.15 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 51 H 8.47 4.05 0.00 3.14 3.46 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.51 4.74 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 53 S 8.87 4.34 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.84 5.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.50 4.96 1.80 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.84 0.00 0.00 56 K 9.27 4.60 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 57 V 8.40 4.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 58 R 9.19 4.48 0.00 1.91 1.75 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 59 G 8.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.99 4.71 0.00 1.48 1.73 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.27 7.81 61 A 9.05 5.13 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.28 5.00 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.39 4.93 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.54 0.85 0.00 0.00 64 Q 9.20 4.93 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 65 T 8.66 4.71 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 66 R 8.56 3.68 0.00 1.58 1.77 0.00 3.18 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 67 H 7.54 4.70 0.00 3.17 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.81 4.56 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.00 0.00 0.00 70 I 8.19 4.45 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.39 0.86 0.00 0.00 71 E 8.76 5.22 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 72 S 9.06 4.62 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.79 4.85 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 74 G 8.43 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.